SCHEMBL785840

SCHEMBL785840

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)C(=O)c3cnccc3C(F)(F)F)CC4)CC2)cc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
RBP4 P02753 3/20 0.36
F10 P00742 1/20 0.35
SMO Q99835 3/20 0.34
PDK2 Q15119 1/20 0.34
EPHX2 P34913 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
MCHR1 Q99705 2/20 0.33
CCR5 P51681 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL784825 0.92 RBP4 (0.37) SPRRBP4F10SMOPDK2
SCHEMBL785839 0.88 F10 (0.41) SPRRBP4F10
SCHEMBL785216 0.87 WDR5 (0.42) SPRTLR9TLR8TLR7RBP4
SCHEMBL785813 0.84 TLR9 (0.41) SPRTLR9TLR8TLR7F10
SCHEMBL784791 0.83 PDK2 (0.41) SPRTLR9TLR8TLR7F10
SCHEMBL784539 0.83 TLR9 (0.43) SPRTLR9TLR8TLR7F10
SCHEMBL785587 0.82 RORC (0.43) TLR9TLR8TLR7RBP4F10
SCHEMBL784364 0.82 F10 (0.39) SPRTLR9TLR8TLR7F10
SCHEMBL785542 0.82 HPGD (0.44) SPRTLR9TLR8TLR7F10
SCHEMBL784885 0.81 TLR9 (0.42) SPRTLR9TLR8TLR7F10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 SPR 1860/4885TLR9 1200/4885TLR8 1055/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.